[2-chloro-4-[[4-[(4-hydroxycyclohexyl)amino]thieno[3,2-d]pyrimidin-2-yl]methyl]phenyl]-(1-methylpiperidin-4-yl)methanone;[4-(dimethylamino)piperidin-1-yl]-[4-[[4-[(4-hydroxycyclohexyl)amino]thieno[3,2-d]pyrimidin-2-yl]methyl]phenyl]methanone;(4-ethylpiperidin-1-yl)-[4-[[4-[(4-hydroxycyclohexyl)amino]thieno[3,2-d]pyrimidin-2-yl]methyl]phenyl]methanone;4-[[2-[[4-[methyl-(1-methylpiperidin-4-yl)amino]phenyl]methyl]thieno[3,2-d]pyrimidin-4-yl]amino]cyclohexan-1-ol;4-[[2-[[4-(oxolan-3-yloxy)phenyl]methyl]thieno[3,2-d]pyrimidin-4-yl]amino]cyclohexan-1-ol;4-[[2-(pyridin-4-ylmethyl)thieno[3,2-d]pyrimidin-4-yl]amino]cyclohexan-1-ol

C147H182ClN25O11S6 — CID 158611352

IUPAC[2-chloro-4-[[4-[(4-hydroxycyclohexyl)amino]thieno[3,2-d]pyrimidin-2-yl]methyl]phenyl]-(1-methylpiperidin-4-yl)methanone;[4-(dimethylamino)piperidin-1-yl]-[4-[[4-[(4-hydroxycyclohexyl)amino]thieno[3,2-d]pyrimidin-2-yl]methyl]phenyl]methanone;(4-ethylpiperidin-1-yl)-[4-[[4-[(4-hydroxycyclohexyl)amino]thieno[3,2-d]pyrimidin-2-yl]methyl]phenyl]methanone;4-[[2-[[4-[methyl-(1-methylpiperidin-4-yl)amino]phenyl]methyl]thieno[3,2-d]pyrimidin-4-yl]amino]cyclohexan-1-ol;4-[[2-[[4-(oxolan-3-yloxy)phenyl]methyl]thieno[3,2-d]pyrimidin-4-yl]amino]cyclohexan-1-ol;4-[[2-(pyridin-4-ylmethyl)thieno[3,2-d]pyrimidin-4-yl]amino]cyclohexan-1-ol
SMILESCCC1CCN(C(=O)c2ccc(Cc3nc(NC4CCC(O)CC4)c4sccc4n3)cc2)CC1.CN(C)C1CCN(C(=O)c2ccc(Cc3nc(NC4CCC(O)CC4)c4sccc4n3)cc2)CC1.CN1CCC(C(=O)c2ccc(Cc3nc(NC4CCC(O)CC4)c4sccc4n3)cc2Cl)CC1.CN1CCC(N(C)c2ccc(Cc3nc(NC4CCC(O)CC4)c4sccc4n3)cc2)CC1.OC1CCC(Nc2nc(Cc3ccc(OC4CCOC4)cc3)nc3ccsc23)CC1.OC1CCC(Nc2nc(Cc3ccncc3)nc3ccsc23)CC1
InChIInChI=1S/C27H35N5O2S.C27H34N4O2S.C26H31ClN4O2S.C26H35N5OS.C23H27N3O3S.C18H20N4OS/c1-31(2)21-11-14-32(15-12-21)27(34)19-5-3-18(4-6-19)17-24-29-23-13-16-35-25(23)26(30-24)28-20-7-9-22(33)10-8-20;1-2-18-11-14-31(15-12-18)27(33)20-5-3-19(4-6-20)17-24-29-23-13-16-34-25(23)26(30-24)28-21-7-9-22(32)10-8-21;1-31-11-8-17(9-12-31)24(33)20-7-2-16(14-21(20)27)15-23-29-22-10-13-34-25(22)26(30-23)28-18-3-5-19(32)6-4-18;1-30-14-11-21(12-15-30)31(2)20-7-3-18(4-8-20)17-24-28-23-13-16-33-25(23)26(29-24)27-19-5-9-22(32)10-6-19;27-17-5-3-16(4-6-17)24-23-22-20(10-12-30-22)25-21(26-23)13-15-1-7-18(8-2-15)29-19-9-11-28-14-19;23-14-3-1-13(2-4-14)20-18-17-15(7-10-24-17)21-16(22-18)11-12-5-8-19-9-6-12/h3-6,13,16,20-22,33H,7-12,14-15,17H2,1-2H3,(H,28,29,30);3-6,13,16,18,21-22,32H,2,7-12,14-15,17H2,1H3,(H,28,29,30);2,7,10,13-14,17-19,32H,3-6,8-9,11-12,15H2,1H3,(H,28,29,30);3-4,7-8,13,16,19,21-22,32H,5-6,9-12,14-15,17H2,1-2H3,(H,27,28,29);1-2,7-8,10,12,16-17,19,27H,3-6,9,11,13-14H2,(H,24,25,26);5-10,13-14,23H,1-4,11H2,(H,20,21,22)
InChIKeyHWWKMURHZGYOAD-UHFFFAOYSA-N
MW2703.09 g/mol
LogP26.68
Rot. Bonds34

About [2-chloro-4-[[4-[(4-hydroxycyclohexyl)amino]thieno[3,2-d]pyrimidin-2-yl]methyl]phenyl]-(1-methylpiperidin-4-yl)methanone;[4-(dimethylamino)piperidin-1-yl]-[4-[[4-[(4-hydroxycyclohexyl)amino]thieno[3,2-d]pyrimidin-2-yl]methyl]phenyl]methanone;(4-ethylpiperidin-1-yl)-[4-[[4-[(4-hydroxycyclohexyl)amino]thieno[3,2-d]pyrimidin-2-yl]methyl]phenyl]methanone;4-[[2-[[4-[methyl-(1-methylpiperidin-4-yl)amino]phenyl]methyl]thieno[3,2-d]pyrimidin-4-yl]amino]cyclohexan-1-ol;4-[[2-[[4-(oxolan-3-yloxy)phenyl]methyl]thieno[3,2-d]pyrimidin-4-yl]amino]cyclohexan-1-ol;4-[[2-(pyridin-4-ylmethyl)thieno[3,2-d]pyrimidin-4-yl]amino]cyclohexan-1-ol

[2-chloro-4-[[4-[(4-hydroxycyclohexyl)amino]thieno[3,2-d]pyrimidin-2-yl]methyl]phenyl]-(1-methylpiperidin-4-yl)methanone;[4-(dimethylamino)piperidin-1-yl]-[4-[[4-[(4-hydroxycyclohexyl)amino]thieno[3,2-d]pyrimidin-2-yl]methyl]phenyl]methanone;(4-ethylpiperidin-1-yl)-[4-[[4-[(4-hydroxycyclohexyl)amino]thieno[3,2-d]pyrimidin-2-yl]methyl]phenyl]methanone;4-[[2-[[4-[methyl-(1-methylpiperidin-4-yl)amino]phenyl]methyl]thieno[3,2-d]pyrimidin-4-yl]amino]cyclohexan-1-ol;4-[[2-[[4-(oxolan-3-yloxy)phenyl]methyl]thieno[3,2-d]pyrimidin-4-yl]amino]cyclohexan-1-ol;4-[[2-(pyridin-4-ylmethyl)thieno[3,2-d]pyrimidin-4-yl]amino]cyclohexan-1-ol (PubChem CID 158611352) has the molecular formula C147H182ClN25O11S6 and a molecular weight of 2703.09 g/mol. Its IUPAC name is [2-chloro-4-[[4-[(4-hydroxycyclohexyl)amino]thieno[3,2-d]pyrimidin-2-yl]methyl]phenyl]-(1-methylpiperidin-4-yl)methanone;[4-(dimethylamino)piperidin-1-yl]-[4-[[4-[(4-hydroxycyclohexyl)amino]thieno[3,2-d]pyrimidin-2-yl]methyl]phenyl]methanone;(4-ethylpiperidin-1-yl)-[4-[[4-[(4-hydroxycyclohexyl)amino]thieno[3,2-d]pyrimidin-2-yl]methyl]phenyl]methanone;4-[[2-[[4-[methyl-(1-methylpiperidin-4-yl)amino]phenyl]methyl]thieno[3,2-d]pyrimidin-4-yl]amino]cyclohexan-1-ol;4-[[2-[[4-(oxolan-3-yloxy)phenyl]methyl]thieno[3,2-d]pyrimidin-4-yl]amino]cyclohexan-1-ol;4-[[2-(pyridin-4-ylmethyl)thieno[3,2-d]pyrimidin-4-yl]amino]cyclohexan-1-ol.

Molecular Properties

Compound Name[2-chloro-4-[[4-[(4-hydroxycyclohexyl)amino]thieno[3,2-d]pyrimidin-2-yl]methyl]phenyl]-(1-methylpiperidin-4-yl)methanone;[4-(dimethylamino)piperidin-1-yl]-[4-[[4-[(4-hydroxycyclohexyl)amino]thieno[3,2-d]pyrimidin-2-yl]methyl]phenyl]methanone;(4-ethylpiperidin-1-yl)-[4-[[4-[(4-hydroxycyclohexyl)amino]thieno[3,2-d]pyrimidin-2-yl]methyl]phenyl]methanone;4-[[2-[[4-[methyl-(1-methylpiperidin-4-yl)amino]phenyl]methyl]thieno[3,2-d]pyrimidin-4-yl]amino]cyclohexan-1-ol;4-[[2-[[4-(oxolan-3-yloxy)phenyl]methyl]thieno[3,2-d]pyrimidin-4-yl]amino]cyclohexan-1-ol;4-[[2-(pyridin-4-ylmethyl)thieno[3,2-d]pyrimidin-4-yl]amino]cyclohexan-1-ol
PubChem CID158611352
Molecular FormulaC147H182ClN25O11S6
Molecular Weight2703.09 g/mol
Exact Mass2700.25
IUPAC Name[2-chloro-4-[[4-[(4-hydroxycyclohexyl)amino]thieno[3,2-d]pyrimidin-2-yl]methyl]phenyl]-(1-methylpiperidin-4-yl)methanone;[4-(dimethylamino)piperidin-1-yl]-[4-[[4-[(4-hydroxycyclohexyl)amino]thieno[3,2-d]pyrimidin-2-yl]methyl]phenyl]methanone;(4-ethylpiperidin-1-yl)-[4-[[4-[(4-hydroxycyclohexyl)amino]thieno[3,2-d]pyrimidin-2-yl]methyl]phenyl]methanone;4-[[2-[[4-[methyl-(1-methylpiperidin-4-yl)amino]phenyl]methyl]thieno[3,2-d]pyrimidin-4-yl]amino]cyclohexan-1-ol;4-[[2-[[4-(oxolan-3-yloxy)phenyl]methyl]thieno[3,2-d]pyrimidin-4-yl]amino]cyclohexan-1-ol;4-[[2-(pyridin-4-ylmethyl)thieno[3,2-d]pyrimidin-4-yl]amino]cyclohexan-1-ol
SMILESCCC1CCN(C(=O)c2ccc(Cc3nc(NC4CCC(O)CC4)c4sccc4n3)cc2)CC1.CN(C)C1CCN(C(=O)c2ccc(Cc3nc(NC4CCC(O)CC4)c4sccc4n3)cc2)CC1.CN1CCC(C(=O)c2ccc(Cc3nc(NC4CCC(O)CC4)c4sccc4n3)cc2Cl)CC1.CN1CCC(N(C)c2ccc(Cc3nc(NC4CCC(O)CC4)c4sccc4n3)cc2)CC1.OC1CCC(Nc2nc(Cc3ccc(OC4CCOC4)cc3)nc3ccsc23)CC1.OC1CCC(Nc2nc(Cc3ccncc3)nc3ccsc23)CC1
InChIInChI=1S/C27H35N5O2S.C27H34N4O2S.C26H31ClN4O2S.C26H35N5OS.C23H27N3O3S.C18H20N4OS/c1-31(2)21-11-14-32(15-12-21)27(34)19-5-3-18(4-6-19)17-24-29-23-13-16-35-25(23)26(30-24)28-20-7-9-22(33)10-8-20;1-2-18-11-14-31(15-12-18)27(33)20-5-3-19(4-6-20)17-24-29-23-13-16-34-25(23)26(30-24)28-21-7-9-22(32)10-8-21;1-31-11-8-17(9-12-31)24(33)20-7-2-16(14-21(20)27)15-23-29-22-10-13-34-25(22)26(30-23)28-18-3-5-19(32)6-4-18;1-30-14-11-21(12-15-30)31(2)20-7-3-18(4-8-20)17-24-28-23-13-16-33-25(23)26(29-24)27-19-5-9-22(32)10-6-19;27-17-5-3-16(4-6-17)24-23-22-20(10-12-30-22)25-21(26-23)13-15-1-7-18(8-2-15)29-19-9-11-28-14-19;23-14-3-1-13(2-4-14)20-18-17-15(7-10-24-17)21-16(22-18)11-12-5-8-19-9-6-12/h3-6,13,16,20-22,33H,7-12,14-15,17H2,1-2H3,(H,28,29,30);3-6,13,16,18,21-22,32H,2,7-12,14-15,17H2,1H3,(H,28,29,30);2,7,10,13-14,17-19,32H,3-6,8-9,11-12,15H2,1H3,(H,28,29,30);3-4,7-8,13,16,19,21-22,32H,5-6,9-12,14-15,17H2,1-2H3,(H,27,28,29);1-2,7-8,10,12,16-17,19,27H,3-6,9,11,13-14H2,(H,24,25,26);5-10,13-14,23H,1-4,11H2,(H,20,21,22)
InChIKeyHWWKMURHZGYOAD-UHFFFAOYSA-N
XLogP26.68
TPSA450.24 Ų
H-Bond Donors12
H-Bond Acceptors40
Rotatable Bonds34
Heavy Atoms190
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002703.09
LogP ≤ 526.68
H-Bond Donors ≤ 512
H-Bond Acceptors ≤ 1040

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_E(186)', 'substructure': 'N/A'}

Analyze [2-chloro-4-[[4-[(4-hydroxycyclohexyl)amino]thieno[3,2-d]pyrimidin-2-yl]methyl]phenyl]-(1-methylpiperidin-4-yl)methanone;[4-(dimethylamino)piperidin-1-yl]-[4-[[4-[(4-hydroxycyclohexyl)amino]thieno[3,2-d]pyrimidin-2-yl]methyl]phenyl]methanone;(4-ethylpiperidin-1-yl)-[4-[[4-[(4-hydroxycyclohexyl)amino]thieno[3,2-d]pyrimidin-2-yl]methyl]phenyl]methanone;4-[[2-[[4-[methyl-(1-methylpiperidin-4-yl)amino]phenyl]methyl]thieno[3,2-d]pyrimidin-4-yl]amino]cyclohexan-1-ol;4-[[2-[[4-(oxolan-3-yloxy)phenyl]methyl]thieno[3,2-d]pyrimidin-4-yl]amino]cyclohexan-1-ol;4-[[2-(pyridin-4-ylmethyl)thieno[3,2-d]pyrimidin-4-yl]amino]cyclohexan-1-ol with MolForge

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Launch Full Analysis

Related Compounds

CID 157672398
CID 157672398
CID 157764701
CID 157764701
2-chloro-N-[3-methyl-4-[(4-methylpiperazin-1-yl)methyl]phenyl]-5-(2-pyridin-3-ylthieno[3,2-d]pyrimidin-4-yl)oxybenzamide;2-chloro-N-[3-methyl-4-[(4-methylpiperazin-1-yl)methyl]phenyl]-5-(2-pyridin-4-ylthieno[3,2-d]pyrimidin-4-yl)oxybenzamide;2-methyl-N-[3-methyl-4-[(4-methylpiperazin-1-yl)methyl]phenyl]-5-(2-pyridin-3-ylthieno[3,2-d]pyrimidin-4-yl)oxybenzamide;N-[3-methyl-5-[(4-methylpiperazin-1-yl)methyl]phenyl]-3-(2-pyridin-4-ylthieno[3,2-d]pyrimidin-4-yl)oxybenzamide
CID 158849323

Frequently Asked Questions

What is the IUPAC name of [2-chloro-4-[[4-[(4-hydroxycyclohexyl)amino]thieno[3,2-d]pyrimidin-2-yl]methyl]phenyl]-(1-methylpiperidin-4-yl)methanone;[4-(dimethylamino)piperidin-1-yl]-[4-[[4-[(4-hydroxycyclohexyl)amino]thieno[3,2-d]pyrimidin-2-yl]methyl]phenyl]methanone;(4-ethylpiperidin-1-yl)-[4-[[4-[(4-hydroxycyclohexyl)amino]thieno[3,2-d]pyrimidin-2-yl]methyl]phenyl]methanone;4-[[2-[[4-[methyl-(1-methylpiperidin-4-yl)amino]phenyl]methyl]thieno[3,2-d]pyrimidin-4-yl]amino]cyclohexan-1-ol;4-[[2-[[4-(oxolan-3-yloxy)phenyl]methyl]thieno[3,2-d]pyrimidin-4-yl]amino]cyclohexan-1-ol;4-[[2-(pyridin-4-ylmethyl)thieno[3,2-d]pyrimidin-4-yl]amino]cyclohexan-1-ol?
The IUPAC name of [2-chloro-4-[[4-[(4-hydroxycyclohexyl)amino]thieno[3,2-d]pyrimidin-2-yl]methyl]phenyl]-(1-methylpiperidin-4-yl)methanone;[4-(dimethylamino)piperidin-1-yl]-[4-[[4-[(4-hydroxycyclohexyl)amino]thieno[3,2-d]pyrimidin-2-yl]methyl]phenyl]methanone;(4-ethylpiperidin-1-yl)-[4-[[4-[(4-hydroxycyclohexyl)amino]thieno[3,2-d]pyrimidin-2-yl]methyl]phenyl]methanone;4-[[2-[[4-[methyl-(1-methylpiperidin-4-yl)amino]phenyl]methyl]thieno[3,2-d]pyrimidin-4-yl]amino]cyclohexan-1-ol;4-[[2-[[4-(oxolan-3-yloxy)phenyl]methyl]thieno[3,2-d]pyrimidin-4-yl]amino]cyclohexan-1-ol;4-[[2-(pyridin-4-ylmethyl)thieno[3,2-d]pyrimidin-4-yl]amino]cyclohexan-1-ol (CID 158611352) is [2-chloro-4-[[4-[(4-hydroxycyclohexyl)amino]thieno[3,2-d]pyrimidin-2-yl]methyl]phenyl]-(1-methylpiperidin-4-yl)methanone;[4-(dimethylamino)piperidin-1-yl]-[4-[[4-[(4-hydroxycyclohexyl)amino]thieno[3,2-d]pyrimidin-2-yl]methyl]phenyl]methanone;(4-ethylpiperidin-1-yl)-[4-[[4-[(4-hydroxycyclohexyl)amino]thieno[3,2-d]pyrimidin-2-yl]methyl]phenyl]methanone;4-[[2-[[4-[methyl-(1-methylpiperidin-4-yl)amino]phenyl]methyl]thieno[3,2-d]pyrimidin-4-yl]amino]cyclohexan-1-ol;4-[[2-[[4-(oxolan-3-yloxy)phenyl]methyl]thieno[3,2-d]pyrimidin-4-yl]amino]cyclohexan-1-ol;4-[[2-(pyridin-4-ylmethyl)thieno[3,2-d]pyrimidin-4-yl]amino]cyclohexan-1-ol.
What is the SMILES notation for [2-chloro-4-[[4-[(4-hydroxycyclohexyl)amino]thieno[3,2-d]pyrimidin-2-yl]methyl]phenyl]-(1-methylpiperidin-4-yl)methanone;[4-(dimethylamino)piperidin-1-yl]-[4-[[4-[(4-hydroxycyclohexyl)amino]thieno[3,2-d]pyrimidin-2-yl]methyl]phenyl]methanone;(4-ethylpiperidin-1-yl)-[4-[[4-[(4-hydroxycyclohexyl)amino]thieno[3,2-d]pyrimidin-2-yl]methyl]phenyl]methanone;4-[[2-[[4-[methyl-(1-methylpiperidin-4-yl)amino]phenyl]methyl]thieno[3,2-d]pyrimidin-4-yl]amino]cyclohexan-1-ol;4-[[2-[[4-(oxolan-3-yloxy)phenyl]methyl]thieno[3,2-d]pyrimidin-4-yl]amino]cyclohexan-1-ol;4-[[2-(pyridin-4-ylmethyl)thieno[3,2-d]pyrimidin-4-yl]amino]cyclohexan-1-ol?
The canonical SMILES for [2-chloro-4-[[4-[(4-hydroxycyclohexyl)amino]thieno[3,2-d]pyrimidin-2-yl]methyl]phenyl]-(1-methylpiperidin-4-yl)methanone;[4-(dimethylamino)piperidin-1-yl]-[4-[[4-[(4-hydroxycyclohexyl)amino]thieno[3,2-d]pyrimidin-2-yl]methyl]phenyl]methanone;(4-ethylpiperidin-1-yl)-[4-[[4-[(4-hydroxycyclohexyl)amino]thieno[3,2-d]pyrimidin-2-yl]methyl]phenyl]methanone;4-[[2-[[4-[methyl-(1-methylpiperidin-4-yl)amino]phenyl]methyl]thieno[3,2-d]pyrimidin-4-yl]amino]cyclohexan-1-ol;4-[[2-[[4-(oxolan-3-yloxy)phenyl]methyl]thieno[3,2-d]pyrimidin-4-yl]amino]cyclohexan-1-ol;4-[[2-(pyridin-4-ylmethyl)thieno[3,2-d]pyrimidin-4-yl]amino]cyclohexan-1-ol is CCC1CCN(C(=O)c2ccc(Cc3nc(NC4CCC(O)CC4)c4sccc4n3)cc2)CC1.CN(C)C1CCN(C(=O)c2ccc(Cc3nc(NC4CCC(O)CC4)c4sccc4n3)cc2)CC1.CN1CCC(C(=O)c2ccc(Cc3nc(NC4CCC(O)CC4)c4sccc4n3)cc2Cl)CC1.CN1CCC(N(C)c2ccc(Cc3nc(NC4CCC(O)CC4)c4sccc4n3)cc2)CC1.OC1CCC(Nc2nc(Cc3ccc(OC4CCOC4)cc3)nc3ccsc23)CC1.OC1CCC(Nc2nc(Cc3ccncc3)nc3ccsc23)CC1.
What is the InChIKey of [2-chloro-4-[[4-[(4-hydroxycyclohexyl)amino]thieno[3,2-d]pyrimidin-2-yl]methyl]phenyl]-(1-methylpiperidin-4-yl)methanone;[4-(dimethylamino)piperidin-1-yl]-[4-[[4-[(4-hydroxycyclohexyl)amino]thieno[3,2-d]pyrimidin-2-yl]methyl]phenyl]methanone;(4-ethylpiperidin-1-yl)-[4-[[4-[(4-hydroxycyclohexyl)amino]thieno[3,2-d]pyrimidin-2-yl]methyl]phenyl]methanone;4-[[2-[[4-[methyl-(1-methylpiperidin-4-yl)amino]phenyl]methyl]thieno[3,2-d]pyrimidin-4-yl]amino]cyclohexan-1-ol;4-[[2-[[4-(oxolan-3-yloxy)phenyl]methyl]thieno[3,2-d]pyrimidin-4-yl]amino]cyclohexan-1-ol;4-[[2-(pyridin-4-ylmethyl)thieno[3,2-d]pyrimidin-4-yl]amino]cyclohexan-1-ol?
The InChIKey is HWWKMURHZGYOAD-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H35N5O2S.C27H34N4O2S.C26H31ClN4O2S.C26H35N5OS.C23H27N3O3S.C18H20N4OS/c1-31(2)21-11-14-32(15-12-21)27(34)19-5-3-18(4-6-19)17-24-29-23-13-16-35-25(23)26(30-24)28-20-7-9-22(33)10-8-20;1-2-18-11-14-31(15-12-18)27(33)20-5-3-19(4-6-20)17-24-29-23-13-16-34-25(23)26(30-24)28-21-7-9-22(32)10-8-21;1-31-11-8-17(9-12-31)24(33)20-7-2-16(14-21(20)27)15-23-29-22-10-13-34-25(22)26(30-23)28-18-3-5-19(32)6-4-18;1-30-14-11-21(12-15-30)31(2)20-7-3-18(4-8-20)17-24-28-23-13-16-33-25(23)26(29-24)27-19-5-9-22(32)10-6-19;27-17-5-3-16(4-6-17)24-23-22-20(10-12-30-22)25-21(26-23)13-15-1-7-18(8-2-15)29-19-9-11-28-14-19;23-14-3-1-13(2-4-14)20-18-17-15(7-10-24-17)21-16(22-18)11-12-5-8-19-9-6-12/h3-6,13,16,20-22,33H,7-12,14-15,17H2,1-2H3,(H,28,29,30);3-6,13,16,18,21-22,32H,2,7-12,14-15,17H2,1H3,(H,28,29,30);2,7,10,13-14,17-19,32H,3-6,8-9,11-12,15H2,1H3,(H,28,29,30);3-4,7-8,13,16,19,21-22,32H,5-6,9-12,14-15,17H2,1-2H3,(H,27,28,29);1-2,7-8,10,12,16-17,19,27H,3-6,9,11,13-14H2,(H,24,25,26);5-10,13-14,23H,1-4,11H2,(H,20,21,22).
What are the key properties of [2-chloro-4-[[4-[(4-hydroxycyclohexyl)amino]thieno[3,2-d]pyrimidin-2-yl]methyl]phenyl]-(1-methylpiperidin-4-yl)methanone;[4-(dimethylamino)piperidin-1-yl]-[4-[[4-[(4-hydroxycyclohexyl)amino]thieno[3,2-d]pyrimidin-2-yl]methyl]phenyl]methanone;(4-ethylpiperidin-1-yl)-[4-[[4-[(4-hydroxycyclohexyl)amino]thieno[3,2-d]pyrimidin-2-yl]methyl]phenyl]methanone;4-[[2-[[4-[methyl-(1-methylpiperidin-4-yl)amino]phenyl]methyl]thieno[3,2-d]pyrimidin-4-yl]amino]cyclohexan-1-ol;4-[[2-[[4-(oxolan-3-yloxy)phenyl]methyl]thieno[3,2-d]pyrimidin-4-yl]amino]cyclohexan-1-ol;4-[[2-(pyridin-4-ylmethyl)thieno[3,2-d]pyrimidin-4-yl]amino]cyclohexan-1-ol?
[2-chloro-4-[[4-[(4-hydroxycyclohexyl)amino]thieno[3,2-d]pyrimidin-2-yl]methyl]phenyl]-(1-methylpiperidin-4-yl)methanone;[4-(dimethylamino)piperidin-1-yl]-[4-[[4-[(4-hydroxycyclohexyl)amino]thieno[3,2-d]pyrimidin-2-yl]methyl]phenyl]methanone;(4-ethylpiperidin-1-yl)-[4-[[4-[(4-hydroxycyclohexyl)amino]thieno[3,2-d]pyrimidin-2-yl]methyl]phenyl]methanone;4-[[2-[[4-[methyl-(1-methylpiperidin-4-yl)amino]phenyl]methyl]thieno[3,2-d]pyrimidin-4-yl]amino]cyclohexan-1-ol;4-[[2-[[4-(oxolan-3-yloxy)phenyl]methyl]thieno[3,2-d]pyrimidin-4-yl]amino]cyclohexan-1-ol;4-[[2-(pyridin-4-ylmethyl)thieno[3,2-d]pyrimidin-4-yl]amino]cyclohexan-1-ol has a molecular weight of 2703.09 g/mol, XLogP of 26.68, 34 rotatable bonds, 12 hydrogen bond donors, and 40 hydrogen bond acceptors.
Where does this data come from?
All data for [2-chloro-4-[[4-[(4-hydroxycyclohexyl)amino]thieno[3,2-d]pyrimidin-2-yl]methyl]phenyl]-(1-methylpiperidin-4-yl)methanone;[4-(dimethylamino)piperidin-1-yl]-[4-[[4-[(4-hydroxycyclohexyl)amino]thieno[3,2-d]pyrimidin-2-yl]methyl]phenyl]methanone;(4-ethylpiperidin-1-yl)-[4-[[4-[(4-hydroxycyclohexyl)amino]thieno[3,2-d]pyrimidin-2-yl]methyl]phenyl]methanone;4-[[2-[[4-[methyl-(1-methylpiperidin-4-yl)amino]phenyl]methyl]thieno[3,2-d]pyrimidin-4-yl]amino]cyclohexan-1-ol;4-[[2-[[4-(oxolan-3-yloxy)phenyl]methyl]thieno[3,2-d]pyrimidin-4-yl]amino]cyclohexan-1-ol;4-[[2-(pyridin-4-ylmethyl)thieno[3,2-d]pyrimidin-4-yl]amino]cyclohexan-1-ol is sourced from PubChem (CID 158611352), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).